3-苯氧基丁酸 | 64508-87-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-苯氧基丁酸
• 英文名称: 3-phenoxybutanoic acid
• CAS: 64508-87-8
• 化学式: C₁₀H₁₂O₃
• 分子量: 180.203
• InChiKey: FBJWHMYVHYDATM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918990090
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  3-苯氧基丁酸 在 甲烷磺酸 、 phosphorus pentoxide 、 lithium diisopropyl amide 作用下， 反应 3.25h， 生成 ethyl 2-[(2R,4R)-4-hydroxy-2-methyl-2,3-dihydrochromen-4-yl]acetate
  参考文献：
  名称：

  乙内酰脲生物等排体。体内活性螺羟基乙酸醛糖还原酶抑制剂。

  摘要：

  醛糖还原酶抑制剂（ARI）山梨醇的临床副作用与其乙内酰脲环有关的假说导致了生物立体分析并用螺羟基乙酸部分取代乙内酰脲，如40所示。与乙内酰脲相比，这些羟酸在苯并二氢吡喃2-甲基取代时，效价增加相似，酸性与芳族部分的正交关系相似，ARI对映选择性也相似。在该系列中，六元螺羟基乙酸乙酸阴离子阵列是螺乙内酰脲阴离子的生物等排体，可导致ARI具有出色的体内活性。像第4步那样，通过苯并二氢吡喃-2-甲基化和通过芳香族6,7-卤素取代，使体外和体内活性提高了40倍以上。将大鼠体内具有最佳急性体内活性的化合物的慢性体内活性进行了比较。

  DOI：

  10.1021/jm00090a004
• 作为产物：
  描述：

  1-methyl-3-butenyl phenyl ether 在 potassium permanganate 、 四丁基溴化铵 作用下， 以 水 、 苯 为溶剂， 以74%的产率得到3-苯氧基丁酸
  参考文献：
  名称：

  Asymmetric synthesis of 2-substituted chroman-4-ones using lipase-catalyzed kinetic resolutions

  摘要：

  2-Methylchroman-4-one and 2-phenylchroman-4-one were synthesized in optically active form. Their chiral intermediates were obtained via lipase-catalyzed enantioselective reactions. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(03)00277-5

文献信息

• Structure activity studies with xenobiotic substrates using carboxylesterases isolated from Arabidopsis thaliana
  作者：Ian Cummins、Marie Landrum、Patrick G. Steel、Robert Edwards

  DOI：10.1016/j.phytochem.2006.12.014

  日期：2007.3

  cloned, expressed and the purified recombinant proteins assayed for esterase activity with xenobiotic substrates. Two members, AtCXE5 and AtCXE18 were found to be active carboxylesterases, though AtCXE5 proved to be highly unstable as a soluble protein. AtCXE18 and the previously characterised S-formylglutathione hydrolase from Arabidopsis (AtSFGH) were assayed against a series of esters based on methylumbelliferone

  羧酸酯酶 (CXE) 催化异生物质和天然产物的水解，从根本上改变它们的生物活性。虽然动物 CXE 的底物选择性，如猪肝酯酶 (PLE) 已得到充分研究，但植物中的相应酶尚未确定，其活性尚未确定。使用拟南芥 (At) 作为来源，已经克隆、表达了 α/β 水解酶 AtCXE 蛋白质家族的五个代表性成员，并用异生物质底物测定了纯化的重组蛋白的酯酶活性。两个成员 AtCXE5 和 AtCXE18 被发现是有活性的羧酸酯酶，尽管 AtCXE5 作为可溶性蛋白质被证明是高度不稳定的。AtCXE18 和先前表征的来自拟南芥 (AtSFGH) 的 S-甲酰谷胱甘肽水解酶针对一系列基于甲基伞形酮的酯进行了测定，其中酰基部分的大小和构象各不相同。使用同一系列测定拟南芥植物的粗酯酶制剂，并将结果与​​常用的 PLE 获得的结果进行比较。对于直链酯，AtCXE18 的行为类似于 PLE，但拟南芥水解酶证明对支链酰
• [EN] ANTIDIABETIC AZAINDOLES AND DIAZAINDOLES<br/>[FR] AZAINDOLES ET DIAZAINDOLES ANTIDIABÉTIQUES
  申请人：MERCK & CO INC

  公开号：WO2009005672A1

  公开（公告）日：2009-01-08

  Azaindoles and diazaindoles having aromatic substituents on the 5-membered ring are agonists or partial agonists of the PPAR receptor and are useful in the treatment and control of type 2 diabetes and of symptoms of diabetes, including hyperglycemia, dyslipidemia, hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, and obesity that are often associated with type 2 diabetes.

  在5-成员环上具有芳香基团的氮杂吲哚和二氮杂吲哚是PPAR受体的激动剂或部分激动剂，并可用于治疗和控制2型糖尿病及与之常相关的高血糖、血脂异常、高脂血症、高胆固醇血症、高甘油三酯血症和肥胖症状。
• Use of an inducing agent for the treatment of blood, viral and cellular disorders
  申请人：Perrine, Susan P.

  公开号：EP1611885A1

  公开（公告）日：2006-01-04

  The invention relates to novel compositions and to novel methods for the administration of compositions to a patient or to cells in vitro for the treatment of human disorders. In one embodiment, compositions contain chemical compounds that stimulate the expression of fetal hemoglobin and/or stimulate the proliferation of red blood cells, white blood cells and platelets in patients and ex vivo for reconstitution of hematopoiesis in vivo. These methods are useful to treat or prevent the symptoms associated with anemia, sickle cell disease, thalassemia and other blood disorders. In another embodiment, compositions contain an inducing agent and an anti-viral agent. The inducing agent induces the expression of a cellular or viral product, such as viral thymidine kinase, increasing the sensitivity of proliferating cells to the anti-viral agent. Typical anti-viral agents include nucleoside analogs such as ganciclovir that inhibit viral replication. Methods involve administration of therapeutically effective amounts of the inducing agent with the anti-viral agent to destroy virus-infected cells. Viral infections that can be treated include infections by herpes viruses such as Kaposi's-associated herpes virus and Epstein-Barr virus, HIV infections and HTLV infections. These compositions and methods are particularly effective against episomal and latent infections in proliferating cells. The invention also relates to novel methods for the pulsed administration of compositions to patients for the treatment and prevention of cell proliferative disorders including deficiencies such as cytopenia and malignancies such as viral-induced tumors, other forms of neoplasia and for expansion of cells for hematopoietic transplantation.

  本发明涉及治疗人类疾病的新型组合物和向患者或体外细胞施用组合物的新型方法。在一个实施方案中，组合物含有刺激胎儿血红蛋白表达和/或刺激患者体内和体外红细胞、白细胞和血小板增殖以重建体内造血的化合物。这些方法可用于治疗或预防贫血、镰状细胞病、地中海贫血和其他血液疾病的相关症状。在另一个实施方案中，组合物含有一种诱导剂和一种抗病毒剂。诱导剂可诱导细胞或病毒产物（如病毒胸苷激酶）的表达，增加增殖细胞对抗病毒剂的敏感性。典型的抗病毒剂包括核苷类似物，如更昔洛韦，可抑制病毒复制。方法是将治疗有效量的诱导剂与抗病毒剂一起施用，以消灭受病毒感染的细胞。可治疗的病毒感染包括疱疹病毒感染，如卡波济氏相关疱疹病毒和 Epstein-Barr 病毒、HIV 感染和 HTLV 感染。这些组合物和方法对增殖细胞中的表观感染和潜伏感染特别有效。本发明还涉及向患者脉冲式施用组合物的新方法，用于治疗和预防细胞增殖性疾病，包括细胞减少症等缺陷和病毒引起的肿瘤等恶性肿瘤、其他形式的肿瘤以及用于造血移植的细胞扩增。
• Composition comprising an inducing agent and an anti-viral agent for the treatment of viral disorders
  申请人：Perrine, Susan P.

  公开号：EP2298350A2

  公开（公告）日：2011-03-23

  The invention relates to novel compositions and to novel methods for the administration of compositions to a patient or to cells in vitro for the treatment of human disorders. In one embodiment, compositions contain chemical compounds that stimulate the expression of fetal hemoglobin and/or stimulate the proliferation of red blood cells, white blood cells and platelets in patients and ex vivo for reconstitution of hematopoiesis in vivo. These methods are useful to treat or prevent the symptoms associated with anemia, sickle cell disease, thalassemia and other blood disorders. In another embodiment, compositions contain an inducing agent and an anti-viral agent. The inducing agent induces the expression of a cellular or viral product, such as viral thymidine kinase, increasing the sensitivity of proliferating cells to the anti-viral agent. Typical anti-viral agents include nucleoside analogs such as ganciclovir that inhibit viral replication. Methods involve administration of therapeutically effective amounts of the inducing agent with the anti-viral agent to destroy virus-infected cells. Viral infections that can be treated include infections by herpes viruses such as Kaposi's-associated herpes virus and Epstein-Barr virus, HIV infections and HTLV infections. These compositions and methods are particularly effective against episomal and latent infections in proliferating cells. The invention also relates to novel methods for the pulsed administration of compositions to patients for the treatment and prevention of cell proliferative disorders including deficiencies such as cytopenia and malignancies such as viral-induced tumors, other forms of neoplasia and for expansion of cells for hematopoietic transplantation.

  本发明涉及治疗人类疾病的新型组合物和向患者或体外细胞施用组合物的新型方法。在一个实施方案中，组合物含有刺激胎儿血红蛋白表达和/或刺激患者体内和体外红细胞、白细胞和血小板增殖以重建体内造血的化合物。这些方法可用于治疗或预防贫血、镰状细胞病、地中海贫血和其他血液疾病的相关症状。在另一个实施方案中，组合物含有一种诱导剂和一种抗病毒剂。诱导剂可诱导细胞或病毒产物（如病毒胸苷激酶）的表达，增加增殖细胞对抗病毒剂的敏感性。典型的抗病毒剂包括核苷类似物，如更昔洛韦，可抑制病毒复制。方法是将治疗有效量的诱导剂与抗病毒剂一起施用，以消灭受病毒感染的细胞。可治疗的病毒感染包括疱疹病毒感染，如卡波济氏相关疱疹病毒和 Epstein-Barr 病毒、HIV 感染和 HTLV 感染。这些组合物和方法对增殖细胞中的表观感染和潜伏感染特别有效。本发明还涉及向患者脉冲式施用组合物的新方法，用于治疗和预防细胞增殖性疾病，包括细胞减少症等缺陷和病毒诱发的肿瘤等恶性肿瘤、其他形式的肿瘤以及用于造血移植的细胞扩增。
• Methods and compositions for treating viral or virally-induced conditions
  申请人：VIRACTA THERAPEUTICS, INC.

  公开号：US10857152B2

  公开（公告）日：2020-12-08

  Provided are methods and compositions for the prevention and/or treatment of viral conditions, virally-induced conditions and inflammatory conditions. The methods can comprise administering to a subject a viral inducing agent with an antiviral agent, and optionally an additional agent. The viral inducing agent can be a HDAC inhibitor administered orally.

  本文提供了预防和/或治疗病毒病、病毒诱发病和炎症的方法和组合物。这些方法可包括向受试者施用病毒诱导剂与抗病毒剂，以及可选的附加剂。病毒诱导剂可以是口服 HDAC 抑制剂。